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ChEBI
> Main
CHEBI:36122 - pelargonidin 3-
O
-β-
D
-glucoside chloride
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ChEBI Name
pelargonidin 3-
O
-β-
D
-glucoside chloride
ChEBI ID
CHEBI:36122
ChEBI ASCII Name
pelargonidin 3-O-beta-D-glucoside chloride
Definition
A member of the class of anthocyanin chlorides that has pelargonidin 3-
O
-β-
D
-glucoside as the cationic counterpart.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C21H21ClO10
Net Charge
0
Average Mass
468.83814
Monoisotopic Mass
468.08232
InChI
InChI=1S/C21H20O10.ClH/c22-
8-
16-
17(26)
18(27)
19(28)
21(31-
16)
30-
15-
7-
12-
13(25)
5-
11(24)
6-
14(12)
29-
20(15)
9-
1-
3-
10(23)
4-
2-
9;/h1-
7,16-
19,21-
22,26-
28H,8H2,(H2-
,23,24,25)
;1H/t16-
,17-
,18+,19-
,21-
;/m1./s1
InChIKey
CAHGSEFWVUVGGL-UBNZBFALSA-N
SMILES
[Cl-].OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
ChEBI Ontology
Outgoing
pelargonidin 3-
O
-β-
D
-glucoside chloride (
CHEBI:36122
)
has part
pelargonidin 3-
O
-β-
D
-glucoside (
CHEBI:31967
)
pelargonidin 3-
O
-β-
D
-glucoside chloride (
CHEBI:36122
)
is a
anthocyanin chlorides (
CHEBI:38698
)
IUPAC Name
3-(β-
D
-glucopyranosyloxy)-4',5,7-trihydroxyflavylium chloride
Registry Numbers
Types
Sources
18466-51-8
CAS Registry Number
ChemIDplus
3901091
Beilstein Registry Number
Beilstein
3901091
Reaxys Registry Number
Reaxys
Last Modified
07 March 2013